Compound Identification
SMILES
CCN1C=C(C([O-])=O)C(=O)C2=CC(F)=C(C=C12)[NH+]1CCN(CC1)C(=S)NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=GSFVYQNRFITLTB-UHFFFAOYSA-N
Formula
C24H22BrFN4O4S
Mass
561.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Quinolines and derivatives
- Subclass Quinoline carboxylic acids
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Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline carboxylic acids
Alternative Parents
Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones 4-halobenzoic acids and derivatives Hydroquinolines Pyridinecarboxylic acids Tertiary alkylarylamines Benzoyl derivatives Bromobenzenes Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Thioureas Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Organic salts Organobromides Organic zwitterions Organofluorides Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Halobenzene - Bromobenzene - Piperazine - Aryl halide - Aryl fluoride - 1,4-diazinane - Aryl bromide - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Thiourea - Tertiary amine - Carboxylic acid salt - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors
Not available